Machine Learning
RL-Ballast: Ship Ballast Water Path Planning and Clog Prediction via Reinforcement Learning
Ming-Kuan Lin, Yi-Chung Lai, Ming-Hsin Chiang et al. (+2 more)
Under the Shipping 4.0 paradigm, autonomous and reduced-crew vessels require intelligent internal systems to maintain operational safety and structural stability. Ballast-water control is essential for ship trim and integrity, but conventional rule-based or manual approaches have limited adaptability to hydraulic anomalies such as valve failures and pipe blockages, and often depend on dense pressure or flow sensors for diagnosis. To address these limitations, this paper proposes RL-Ballast, a graph-based deep reinforcement learning framework for adaptive ballast-water path planning and sensor-frugal blockage candidate scoring. The valve-permutation problem is transformed into 54 feasible fluid-transfer routes generated using graph theory and depth-first search. The partially observable ballast environment is approximated with frame-stacked tank levels and action outcomes, allowing the
agent to infer hidden blockage effects without explicitly modeling a high-dimensional POMDP. During deterministic inference, episode-level failed-action
memory and dynamic action masking prevent repeated ineffective actions and support immediate rerouting. Failed transfer histories are further accumulated to rank suspicious valves or pipe segments without dense instrumentation. Monte Carlo simulations show that RL-Ballast completes all unexpected single-blockage scenarios and reduces average decision steps from 61.0 to 41.5 compared with a Dijkstra rule-based baseline. For diagnostic support, the failure-history scoring scheme achieves a 100% Top-3 hit rate, a 66.7% strict Top-1 hit rate, and an 83.3% Top-1 tie-hit rate under serially indistinguishable blockage conditions. These results suggest that RL-Ballast enables adaptive rerouting and maintenance-oriented blockage diagnosis under limited sensing conditions.
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All authors Ming-Kuan Lin, Yi-Chung Lai, Ming-Hsin Chiang, Tsung-Wei Pan, Jung-Hua Wang
Machine Learning · Cross-listed from cs.CV
Unsupervised Detection of Underground Tunnels in Ground-Penetrating Radar Using Depth-Restricted Reconstruction Scoring
Muhammad Junaid, Shoab A. Khan and Nisar Ahmed
Clandestine tunneling beneath oil and gas pipelines enables fuel theft, smuggling, and sabotage, yet conventional monitoring detects damage only after a pipeline has been compromised. Ground-penetrating radar (GPR) can image such tunnels non-invasively, but manual radargram interpretation does not scale to continuous corridor surveillance, and supervised detectors require tunnel examples that are scarce in practice. We present a fully unsupervised detection pipeline trained exclusively on normal subsurface radargrams collected at a purpose-built field site containing three buried tunnels at 1.5-3 m depth. A denoising convolutional autoencoder learns the structure of anomaly-free ground; at inference, tunnels are flagged by reconstruction error. Our central contribution is a depth-restricted top-k anomaly score, which pools the highest reconstruction errors only within the depth band where tunnels can physically occur. This physically motivated rule raises AUC from 0.986 to 0.994 and cuts missed detections from 74 to 17 of 634 tunnel windows, relative to whole-image scoring, without any retraining or labels. We further show that the optimal top-k fraction interacts with the depth restriction - 1% pooling is best on full images, 5% once scoring is depth-restricted - and that spatial voting across overlapping survey windows helps weak per-image detectors but offers no benefit once the scoring rule is strong. The final system attains AUC 0.994, F1 0.975, recall 0.973, and precision 0.976 on 1,600 field test windows spanning 55 survey lines, at a 1.6% false-alarm rate, using no tunnel labels for training, scoring, or threshold calibration.
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Machine Learning
Active Learning on Adversarially Corrupted Graphs
Marco Bressan, Nicolò Cesa-Bianchi, Tommaso d`Orsi et al. (+2 more)
Motivated by real-world scenarios where malicious entities tamper with existing networks, we define a model where an adversary seeks to hide a set of corrupted vertices inside a graph $G^*$. To this end, the adversary can add edges between the corrupted vertices, as well as edges between the corrupted vertices and $G^*$, and its power is then measured by the size of the neighborhood of the corrupted vertices in $G^*$. Our goal is to design an active learning
algorithm that efficiently finds the subset of corrupted vertices using a small number of label queries. We devise an efficient
algorithm that approximately recovers the corrupted vertices with a query complexity that depends polynomially on both the power of the adversary and the vertex expansion of $G^*$, a fundamental measure of graph connectivity. At the heart of this result is a
polynomial-time
algorithm, obtained by carefully adapting sum-of-squares
algorithms for approximating minimum expansion, that finds a set with small vertex expansion subject to cardinality constraints. To the best of our knowledge, this is the first time that the vertex expansion is shown to play a key role in determining the query complexity of active learning
algorithms robust to structural
adversarial attacks.
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All authors Marco Bressan, Nicolò Cesa-Bianchi, Tommaso d`Orsi, Emmanuel Esposito, Silvio Lattanzi
Machine Learning
Enhancing the Forecasting Capability of Multi-Model Blending Algorithms for Extreme Precipitation via Joint Use of Station and Gridded Observations
Yu Wang, Yong Cao, Kan Dai et al. (+3 more)
Accurate extreme precipitation
forecasting is critical for disaster mitigation but remains challenging for numerical weather prediction (NWP) models due to systemic intensity underestimation and spatial displacement. Traditional precipitation multi-model blending
algorithms perform pixel-by-pixel blending on the forecast field based on weights, which may lead to the expansion of precipitation areas and the smoothing of extreme values. This study proposes an U-Net based two-stage framework: probability classification followed by value reconstruction, to blend forecasts from six major NWP models. A novel station-grid joint supervision mechanism is introduced by integrating observations from 2411 national meteorological stations in China into the loss function, simultaneously constraining spatial structures and peak intensities. Evaluations using independent samples from the 2025 flood season demonstrate that our model significantly outperforms both individual NWPs and current operational products. For rainstorms (>=50 mm), the Threat Score (TS) improved by 38.4% compared to the best NWP. Notably, for extreme events (>=100 mm) driven by extratropical cyclones and the subtropical high, the model successfully elevated the TS to above 0.1, transforming forecasts from having negligible reference value into those with certain operational utility. Furthermore, the model exhibits data-driven spatial correction capabilities, effectively realigning systematic rainbelt displacements with actual precipitation centers. The inclusion of station observations specifically enhanced the TS for rainstorms by 10.4% and effectively balanced the Bias. These results highlight the efficacy of multi-source joint supervision in enhancing the capture of extreme precipitation events.
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All authors Yu Wang, Yong Cao, Kan Dai, Yue Shen, Xiaoqing Zeng, Ruixia Zhao
Machine Learning
Framework for Grouping Local Process Models
Viki Peeva and Wil M. P. van der Aalst
Local Process Models (LPMs) are an underexplored concept in process mining. LPMs describe patterns in event data considering sequence, choice, concurrency, and loop. In recent years, process mining has proved successful in the analysis and improvement of operational processes. More often than not, surprising findings are found when one does not consider the full process, making LPMs and their discovery highly valuable. However, similar to other pattern mining approaches, LPM discovery
algorithms face the problems of model explosion and model repetition, i.e., the
algorithms may create hundreds if not thousands of LPMs, and subsets of them are close in structure or behavior. Practically, no analyst would be able to comb through thousands of LPMs leading to using a sample of LPMs that are easily accessible. The current sentiment is that the top-scoring LPMs form the optimal sample to be presented. However, different applications should demand a different optimal sample. With this work, we show that if the goal of the mined LPMs is to understand a process, using the top-scoring LPMs as an optimal sample is a poor choice because of high repetition. We propose a framework for grouping LPMs and creating an optimal sample by taking one representative LPM for each group. We measure similarity between models via established process model similarity measures or by comparing the context in which an LPM appears. The context is formed using data attributes available in the underlying event logs. We demonstrate the usefulness of grouping on multiple event logs by comparing repetition and coverage between samples comprised of the top-scoring models and the representatives of discovered groups.
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Machine Learning · Cross-listed from cs.MM
SleepBand: Single-Source Domain Generalization for Sleep Staging via Physiologically Structured Spectral Modeling
Zhi Lu, Yang Hu and Yan Chen
Generalizing sleep staging models to unseen
datasets is challenging, and typical domain generalization (DG) methods often rely on multiple source domains or domain labels that are rarely available in practice. We tackle the stricter and more practical setting of single-source domain generalization: training on a single labeled source
dataset, without domain labels or access to target data. We present SleepBand, a physiology-guided framework that embeds oscillatory priors via a learnable Morlet filter bank and a structured integration-and-recalibration pipeline. This anchors representations to domain-invariant sleep rhythms (e.g., slow waves, spindles), reducing reliance on
dataset-specific artefacts. On five public
datasets, SleepBand achieves state-of-the-art SDG performance and remains competitive under leave-one-domain-out (multi-source) DG. Analyses show that the learned filters align with canonical neurophysiology and that robustness stems from focusing on narrowband, physiologically meaningful cues. Our results suggest that principled, physiology-aware inductive biases are a promising path for robust single-domain sleep staging. Code is available at https://github.com/lzcn/sleep-band
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Machine Learning
Pretraining Curricula Enable Selective Fine-tuning
Sebastian A. Bruijns, Jirko Rubruck, Mia H. Whitefield et al. (+3 more)
Transformers follow implicit curricula whereby some tasks are learned before others. However, how explicit pretraining curricula influence learning, generalization, and the selectivity of fine-tuning is unclear. This is important for AI safety, where fine-tuning is used to selectively suppress misaligned behaviors. Here, we compare curricula that pretrain tasks in a balanced (sampled uniformly) or an imbalanced (one task early, the other late) fashion. We show that imbalanced learning of two conflicting copy tasks promotes in-context learning and improves the selectivity of refusal fine-tuning. Ablations and activation patching show that this occurs because imbalanced pretraining encourages tasks to be disentangled in separable neural
circuits, whereas balanced training routes both tasks through a common pathway. We extend these findings to a synthetic
language learning task involving rule-consistent and rule-violating data, where imbalanced curricula similarly lead to more localized, less entangled rule representations, resulting in more robust rule-following behavior. Together, these results suggest that imbalanced pretraining curricula may be an important tool for promoting disentangled representations, with direct consequences for the precision and reliability of safety fine-tuning.
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All authors Sebastian A. Bruijns, Jirko Rubruck, Mia H. Whitefield, Kai J. Sandbrink, Fazl Barez, Christopher Summerfield
Machine Learning
Representing and Detecting Label Ambiguity in IMU-Based Exercise Evaluation
Andreas Spilz, Heiko Oppel and Michael Munz
Home-based physiotherapy is performed without supervision, which leads to incorrect execution and motivates systems that assess movement automatically from inertial measurement units (IMUs). Such systems assign each repetition to a category, yet a relevant share of repetitions falls near a class boundary, where even trained raters disagree. Classifiers trained with one-hot labels collapse these borderline repetitions onto a single class and discard this ambiguity. We address this with a method that automatically generates a label distribution per repetition without a large rater pool. We train a network to reproduce the full distribution with a Kullback-Leibler objective, the ambiguity approach, and compare it against a one-hot cross-
entropy baseline on four IMU exercise
datasets. From the network output we further determine whether a repetition is ambiguous and which classes are relevant to it. The ambiguity approach matched or exceeded the baseline classification on all four
datasets, and detected ambiguity and the relevant classes more reliably. Representing the label distribution in the training target therefore adds information about ambiguity at no cost to classification.
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Machine Learning
Probably Correct Optimal Stable Matching under Two-Sided Uncertainty
Andreas Athanasopoulos, Anne-Marie George and Christos Dimitrakakis
We study a sequential learning problem for stable matchings in two-sided
markets where preferences on both sides are initially unknown. We focus on a centralized setting where an
algorithm matches
agents at each time step and receives noisy rewards that reflect the preferences of the matched
agents, following a semi-bandit feedback structure. We adopt a pure exploration perspective, aiming to efficiently identify the optimal stable matching with high probability. Our work extends prior results by handling two-sided uncertainty and by exploiting partial preference information. A central ingredient is the notion of pervasive stable matching, which enables the identification of optimal stable matchings under partial preferences. We propose elimination-based
algorithms whose stopping criteria exploit the structure of the learned partial preferences, and provide a refined sample-complexity analysis. Beyond pure exploration, we extend our approach to regret minimization and establish regret bounds with respect to the optimal stable matching that avoid dependence on the minimum reward gap $\Delta_{\min}$.
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Machine Learning
KinEMbed: Decoding Kinematics from Electromyography via Cross-Modal Contrastive Learning
Sofia Gilardini, Chenfei Ma and Kianoush Nazarpour
Decoding hand kinematics from surface electromyography (EMG) is a core challenge in wearable biosignal processing with clinical relevance for prosthetic control and motor rehabilitation. Most representation learning approaches for EMG focus on discrete gesture classification, and few focus on continuous regression. We present KinEMbed, a cross-modal contrastive learning framework for hand kinematics regression that jointly trains dual encoders – one for windowed EMG features and one for kinematic (joint angle) targets. The resulting
embeddings inherit the
geometric structure of the kinematic space without requiring kinematic signals at inference time. Evaluating on the NinaPro DB8
dataset that includes both able-bodied users and subjects with limb difference (N=11), KinEMbed outperforms PCA, PLS, autoencoder and contrastive (CEBRA) baselines on held-out sessions, with largest gains on the most challenging thumb degrees of articulation. We position this work as a first step toward contrastive representation learning for regression of hand kinematics from structured wearable biosignals.
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Machine Learning
Layer-Parallel Inference Reduces Encrypted Nonlinear Depth in Transformers
Ligong Han, Kai Xu, Hao Wang et al. (+3 more)
Fully homomorphic encryption (FHE) enables computation on encrypted data, but practical encrypted
Transformer inference is bottlenecked by the sequential composition of many nonlinear blocks. We study whether Structured Newton Layer Parallelism (SNLP) can make this inter-layer composition more FHE-friendly: each
Transformer block still requires
polynomial approximations for operations such as softmax and RMSNorm, but SNLP reduces the layerwise sequential nonlinear depth from L stages to a small number of solver iterations plus linear structured corrections. Using a simulation framework based on Chebyshev
polynomial approximations, we measure error accumulation under sequential versus SNLP inference across 8 models and 4 architecture families. On a 0.5B IDN-trained model, SNLP reduces symbolic bootstraps from 53 to 20 (2.65x) with only +1.2% perplexity degradation, while lowering error amplification (1.36x vs. 1.42x). Across all tested models, SNLP has lower amplification than sequential inference. Ablations show that softmax approximation dominates the error budget and CKKS arithmetic noise is negligible in our setting, suggesting that SNLP is complementary to block-level FHE-friendly operator design rather than a replacement for it.
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All authors Ligong Han, Kai Xu, Hao Wang, Ruijiang Gao, Han Gao, Akash Srivastava
Machine Learning · Cross-listed from stat.ML
Context-Constrained Transfer Learning for Tabular Foundation Models via Data Distillation
Yijun Lin and Sai Li
Tabular Foundation Models (TFMs) have demonstrated strong empirical performance as black-box inference engines through in-context learning. However, their use in transfer learning is limited by two obstacles: strict context-size constraints and sensitivity to distribution shifts between source and target tasks. Directly pooling heterogeneous source data can therefore lead to negative transfer. To address these challenges, we propose Context-Constrained Transfer Learning via ANchoring and
DIstillation (TL-ANDI), a posterior-aware
distillation framework for TFMs. TL-ANDI constructs a compact source context by solving a budget-constrained optimal transport problem whose cost jointly measures target
covariate coverage and posterior compatibility. The selected anchor samples are then equipped with locally distilled labels and combined with a residual calibration step using target data.
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Machine Learning
Compressed Computation under $L^4$ Loss is likely Computation in Superposition
Francisco Ferreira da Silva and Stefan Heimersheim
Neural networks are thought to represent concepts as directions in their activation space, and superposition lets them encode more concepts than they have dimensions. It is natural to ask whether they can also compute more functions than they have
neurons, i.e., perform computation in superposition. In this regime many functions of sparse inputs are evaluated by a layer with fewer
neurons than there are functions to compute. Representation in superposition is by now fairly well understood, but computation in superposition is not, and there are few toy models of it arising through training rather than being hand designed. As a toy model of computation in superposition we study the compressed-computation setup: a single-hidden-layer ReLU network with 50
neurons that must compute the ReLU of each of 100 sparse input features. We show that training it under an $L^4$ loss (the mean fourth power of the error), rather than the usual $L^2$, elicits a solution that appears to compute all features in superposition. We then reverse-engineer this solution. We find that the network assigns each feature a sparse binary codeword over
neurons and decodes it with a pseudoinverse of the encoder. Given these codewords, a description with only three scalars recovers most of the network's performance, and we validate it by building equivalent networks from hand-designed codes.
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Machine Learning
Predicting Drafted Deck Strength for "Magic: the Gathering"
Tomas Rigaux and Hisashi Kashima
Many real-world games do not admit a fixed, compact rule set: instead, their dynamics are defined by interactions among a large and often evolving collection of game pieces, making general-purpose policy learning impractical. Magic: the Gathering (MTG) exemplifies this setting, where the cards themselves define and alter gameplay rules, strategic constraints, and long-term outcomes, while the pool of available cards is ever-changing. We study Draft, a constrained deck-building format of MTG in which eight players make 39-45 sequential selections from semi-random packs to construct a 40-card deck under partial information. By isolating the card selection process from gameplay, Draft provides a tractable yet non-trivial setting for studying decision-making driven by combinatorial card synergies. We propose an encoder-based model that produces set-contextualized card
embeddings to encode the draft decision sequence, with a consistent improvement over linear baselines on large-scale real-world data, establishing a first learned
benchmark for outcome prediction in MTG Draft. Our code is available at github.com/akulen/MtGDraftEncoder.
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Machine Learning · Cross-listed from stat.ML
Theoretical Guarantees for SMC-Guided Diffusion Sampling
Stanislas Strasman, Gabriel Victorino Cardoso, Sylvain Le Corff et al. (+2 more)
Post-hoc conditioning of pretrained
diffusion models can be addressed using Sequential Monte Carlo (SMC) methods. By evolving an interacting particle system, SMC-guided
diffusion samplers combine unconditional reverse-
diffusion dynamics with sequential reweighting to approximate conditional distributions. Nevertheless, even in the infinite-particle limit, the implemented sampler may differ from the ideal conditional target because of errors in the
diffusion model, its numerical implementation, and the guidance mechanism. We characterize how these local errors propagate through forward-smoothing kernels, which jointly account for the reverse dynamics and the remaining conditioning information. This yields non-asymptotic error bounds that capture both finite-particle fluctuations and approximation errors arising from initialization, numerical integration, score approximation, and potential design. In doing so, we extend stability guarantees for
diffusion models to the conditional setting. Finally, we apply our framework to several state-of-the-art SMC-guided
diffusion algorithms, providing a unified theoretical perspective on their approximation mechanisms and sources of error.
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All authors Stanislas Strasman, Gabriel Victorino Cardoso, Sylvain Le Corff, Vincent Lemaire, Antonio Ocello
Machine Learning
Towards Personalized Differentially Private Learning for Decentralized Local Graphs
Longzhu He, Peng Tang, Chaozhuo Li et al. (+5 more)
Graph-structured data is increasingly generated and stored in decentralized environments, such as social platforms, mobile applications, and edge networks, where users maintain control over their local graph data. However, collecting and analyzing such decentralized graph data for downstream learning tasks raises significant
privacy concerns, as nodes and their attributes often contain sensitive personal information. Local Differential
Privacy (LDP) has emerged as a promising solution for
privacy-preserving data collection without relying on trusted servers. Nevertheless, existing LDP-based graph learning methods typically assume uniform
privacy requirements across users, ignoring the heterogeneous and personalized
privacy preferences commonly observed in real-world systems. This uniform treatment leads to inflexible noise injection at the data collection stage, resulting in substantial distortion of graph data and degraded utility in subsequent analysis. To address this limitation, we propose PPGNN, a personalized differentially private framework for decentralized graph data. PPGNN enables user-specific
privacy budgets during local perturbation while preserving analytical utility. To handle heterogeneous
privacy levels and noise distortion, we design a two-stage solution consisting of a Personalized Perturbation Mechanism (PPM) and a weighted calibration strategy, FlexProp. Extensive experiments on six real-world graph
datasets demonstrate that PPGNN effectively balances personalized
privacy protection and data utility in decentralized graph learning scenarios.
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All authors Longzhu He, Peng Tang, Chaozhuo Li, Jinhu Fu, Litian Zhang, Li Sun, Philip S. Yu, Sen Su
Machine Learning · Cross-listed from stat.ML
Non-asymptotic Convergence of Stochastic Gradient Descent in Score-based Generative Models
Stanislas Strasman, Sobihan Surendran and Sylvain Le Corff
Score-based Generative Models (SGMs) have achieved impressive performance in data generation across a wide range of applications. While the statistical properties of their sampling procedures are increasingly well understood, the optimization dynamics underlying their training remain less explored. SGMs are typically trained by minimizing a weighted denoising score-matching objective, yet optimization guarantees with
stochastic gradients remain limited. In this work, we study
Stochastic Gradient Descent (SGD) for SGMs, contributing results in two complementary regimes. For general score parameterizations, we derive a non-convex analysis of SGD for the weighted denoising score-matching objective, making explicit how the resulting optimization bound depends on the loss weighting and time-sampling distribution. We then consider overparameterized two-layer ReLU networks and develop a Neural Tangent Kernel analysis tailored to
diffusion training with
stochastic gradients, yielding score-approximation error bounds along the SGD trajectory. Our analysis quantifies the role of the reweighting factor in these bounds, providing a theoretical characterization of weighting choices used in practice.
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Machine Learning
MARLIN: De Novo Molecular Structure Elucidation from Tandem Mass Spectra without a Ground-Truth Formula
Xujun Che, Xiuxia Du and Depeng Xu
Untargeted tandem mass spectrometry (MS/MS) detects thousands of small molecules per biological sample, yet most go unidentified because they are absent from spectral libraries. These uncharacterized metabolites and natural products are precisely the compounds that matter for drug discovery, biomarker research, and exposomics. Computational de novo structure elucidation could close this gap, but almost all state-of-the-art methods assume the ground-truth molecular formula is known, an oracle that does not exist for genuinely novel compounds, whose formula must itself be predicted with substantial error. We present MARLIN, a de novo method that elucidates structures directly from a spectrum with no molecular formula at any stage. A self-supervised encoder predicts a molecular fingerprint from the raw peaks, and a block-
diffusion language model generates candidate structures conditioned only on the fingerprint and the instrument-measured precursor mass. A mass-shell constraint, whose heavy-atom prune provably never excludes the true molecule, steers generation toward the measured mass without fixing the atom inventory, and candidates are accepted by exact parts-per-million mass agreement. A symmetric noise objective absorbs encoder error, and a candidate-diversity mechanism keeps the candidates from collapsing to a single structure. On the NPLIB1
benchmark, MARLIN reaches 16.9% Top-1 exact-match accuracy, higher than the formula-given baselines, and returns the closest candidate structures by structural distance and fingerprint similarity. It recovers the correct molecular formula as a byproduct about as often as a dedicated predictor without ever using one. MARLIN brings de novo structure elucidation to the discovery regime where the molecular formula is unavailable.
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Machine Learning
Multi-Turn On-Policy Distillation with Prefix Replay
Baohao Liao, Hanze Dong, Christof Monz et al. (+3 more)
We study on-policy
distillation (OPD) for agentic tasks, where an LLM
agent interacts with an environment over multiple turns and a student imitates a teacher over these multi-turn interaction histories. Fully online OPD is costly because each update requires fresh student rollouts through the environment and teacher queries at visited histories. We propose Replayed-Prefix On-Policy
Distillation (ReOPD), an off-environment alternative that reuses pre-collected teacher trajectories as replayed prefixes: the student acts at selected steps, while the teacher provides dense per-step supervision without executing new environment interactions. We show that multi-turn OPD introduces a prefix trap: making histories more student-on-policy improves relevance to the student, but can query the teacher on histories where its target is unreliable. This creates a two-sided distribution shift between student occupancy and teacher reliability. ReOPD addresses this by treating multi-turn OPD as a reliability-aware prefix distribution design and implements it with a simple step-decaying sampling schedule that emphasizes early, lower-shift prefixes. Across mathematical
reasoning with Python and search environments over multiple teacher and student model scales, ReOPD preserves or improves OPD-level accuracy, uses zero tool calls during student training, and is at least 4$\times$ faster per rollout than OPD. ReOPD therefore turns expensive
agent-environment interaction into a reusable offline resource, enabling scalable
distillation across tools, tasks, and environments.
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All authors Baohao Liao, Hanze Dong, Christof Monz, Xinxing Xu, Li Dong, Furu Wei
Machine Learning
Zhengpeng Xie, Li Lyna Zhang, Zeke Xie et al. (+1 more)
Big goals are hard to achieve all at once; breaking them into small steps is wiser. We present Trust Region Policy
Distillation (TOP-D), which transforms the notoriously unstable, high-variance On-Policy
Distillation (OPD) into a stable training paradigm by dynamically constructing a proximal teacher. Theoretically, we establish a rigorous framework demonstrating that TOP-D inherently controls gradient variance. By providing a formal global convergence analysis alongside a monotonic improvement bound, we mathematically formalize the reliability and stability of the overall training dynamics. Empirically, TOP-D dramatically enhances training stability, sample efficiency, and final performance on mathematical
reasoning tasks. More importantly, TOP-D introduces zero additional computational overhead, positioning itself as a promising alternative to the well-established OPD paradigm.
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All authors Zhengpeng Xie, Li Lyna Zhang, Zeke Xie, Mao Yang
Machine Learning · Cross-listed from stat.ML
Wasserstein Residuals: Learning Gradient Flows from Population Dynamics
Markus Heinonen, Yair Shenfeld, Ricardo Baptista et al. (+4 more)
Reconstructing population dynamics is a central problem in the physical and data sciences. Often, the dynamics are modeled as a Wasserstein gradient flow (WGF): a curve of distributions driven by an energy functional. Though there are multiple mathematical characterizations of a WGF, the dominant algorithmic approach relies on the Jordan–Kinderlehrer–Otto (JKO) scheme. JKO-based methods are inflexible to time discretisation and require solving costly optimal transport problems. We take a residual approach, enforcing the continuity equations via a non-negative loss function whose minimum is the WGF. Combined with a data-fitting divergence, this gives a single global objective. This perspective unifies several existing methods and leads to a new particle-based method, stitching, that is simulation-free and robust to large gaps between observations. We demonstrate that the stitching method achieves state-of-the-art performance across trajectory inference
benchmarks. For code see github.com/BasisResearch/wasserstein-residuals.
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All authors Markus Heinonen, Yair Shenfeld, Ricardo Baptista, Daniel Waxman, Dmitry Batenkov, Tim Cooijmans, Eli Bingham
Machine Learning · Cross-listed from cs.DB
Identifiability of Relational Queries in Multi-View Pretraining
Ratan Bahadur Thapa and Daniel Hernández
When data sources are integrated through a shared interface, a downstream query may or may not be determined by what the interface exposes: two globally consistent worlds can agree on every shared attribute yet disagree on the query answer. This ambiguity is structural – a property of the interface design, not the data volume – and cannot be resolved by collecting more records or training a larger model. We formalize query identifiability for data integration under interface laws (functional dependencies that hold uniformly across all legal worlds rather than within a single instance) and prove three results. (i) A
polynomial-time certificate (CheckCert) decides identifiability via attribute closure, and is exact on instances that expose any residual ambiguity (closure-separable). (ii) Non-identifiable queries face an irreducible 1/2 minimax error floor for any
estimator using only interface evidence, bounding multi-view pretraining systems from below. (iii) A minimum-augmentation
algorithm (Greedy-MinAug) finds the smallest set of interface additions to certify a query, reducing to Set Cover (logarithmic approximation). Experiments on synthetic
benchmarks, real integration
datasets spanning three domains (scholarly, product, restaurant), and schemas up to 10^3 attributes confirm CheckCert is exact, both
algorithms run in single-digit milliseconds, and ML classifiers exhibit the predicted error floor and abrupt capability gains.
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Machine Learning · Cross-listed from cs.CL
LP-SFT: Keeping Plausible Alternatives Alive in Supervised Fine-Tuning
Yueyang Wang, Baolong Bi, Shuo Lu et al. (+3 more)
Supervised fine-tuning (SFT) is widely used to adapt pretrained
language models to downstream domains, but can over-specialize the model and degrade its pre-existing capabilities. Standard cross-
entropy drives probability mass onto the observed target
token and can make plausible alternatives that the pretrained model itself endorsed vanish. Using Shannon and Renyi
entropies, we show that pretrained next-
token distributions exhibit a regular
multimodal structure, with
entropy peaks corresponding to different numbers of plausible alternatives. Motivated by this observation, we propose LP-SFT, a Local-Preserving Supervised Fine-Tuning objective with two key design principles: it removes the supervised
token from a local top-$K$ candidate set to avoid conflict with cross-
entropy, and applies a locally normalized KL loss to preserve relative preferences among the remaining non-label alternatives. Across mixed-domain and domain-specific fine-tuning experiments, LP-SFT consistently outperforms standard SFT and recent baselines in aggregate performance while keeping base-endorsed alternatives from vanishing, achieving a favorable balance between single-sample accuracy and finite-budget solution accessibility, as measured by pass@1 and pass@$k$, respectively, with only a modest increase in training cost.
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All authors Yueyang Wang, Baolong Bi, Shuo Lu, Jingyuan Zhang, Jiajun Shi, Yuxuan Zhang
Machine Learning · Cross-listed from cs.CL
Turning Off-Policy Tokens On-Policy: A Plug-in Approach for Improving LLM Alignment
Yu Li, Xiuyu Li, Mingyang Yi et al. (+4 more)
Reinforcement learning (RL) post-training for large
language models (LLMs) follows a efficient paradigm of "rollout then update", which inevitably results in off-policy training data. To resolve this, Importance sampling (IS) is proposed, while the
token-level ratios compound over long sequences, causing severe variance exploded. A natural idea is "transferring" these off-policy
token into on-policy
token, so that the importance scores for correction are unnecessary. Following this idea, we propose Selective Importance Sampling (SIS), which is inspired by rejection sampling. Concretely, SIS implements by viewing off-policy model as proposal distribution, and implement a
token-level rejection test: accepted
tokens are viewed as on-policy, so that receive unit importance score, while rejected
tokens retain the standard IS correction. Our proposed SIS is theoretically proved reducing the gap between
token-level and sequence-level off-policy gradient
estimators. The SIS acts as a plug-in that only modifies the importance ratio in the policy loss, adding negligible wall-clock overhead, and can be combine with a vast vary of RL post-training
algorithms. Experiments on dense and MoE LLMs across math and
agent benchmarks show that SIS consistently improves all objectives, while providing substantially stronger robustness under off-policy data.
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All authors Yu Li, Xiuyu Li, Mingyang Yi, Jiaxing Wang, Liangxu Zhang, Zhaolong Xing, Zhen Chen
Machine Learning · Cross-listed from cs.CL
What You See Is What You Get: Observation-Aligned Supervision for Chart-to-Code Generation
Tianhao Niu, Qingfu Zhu and Wanxiang Che
Chart-to-code generation is commonly trained through supervised fine-tuning on reference plotting scripts, implicitly treating the gold code as a fully observable target. However, many chart programs contain latent variables that cannot be uniquely recovered from the rendered image. We identify this latent-observation mismatch in four forms across five chart types: aggregation-induced mismatch, where raw samples are reduced to box statistics or histogram bin masses; normalization-induced mismatch, where absolute scale is removed in pie charts; projection-induced mismatch, where 3D information is lost through 2D rendering; and level-set-induced mismatch, where a scalar field is observable only through selected contour lines. These mismatches introduce target ambiguity and require models to generate information unsupported by the image. We propose Observation-Aligned Supervision, which replaces latent variables with visually constrained quantities. And we study fixed-view 3D scatter and contour charts through controlled experiments. Across VLMs, observation-aligned supervision generally improves observable recovery end-to-end and under both-executable evaluation. Against compact analytic contour formulas, end-to-end performance declines despite better conditional boundary recovery in both-exec setting, suggesting a trade-off with representational compactness.
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Machine Learning
RSPO: Reward-Swap Policy Optimization for Multi-Turn LLM Agents
Qiang Liu, Taian Guo, Ruizhi Qiao et al. (+1 more)
Reinforcement learning holds significant potential for training large
language models (LLMs) to handle multi-turn interactive tasks. However, in long-horizon, multi-turn tasks characterized by sparse outcome rewards, directly training with outcome rewards often results in slow convergence due to the sparsity of signals and the lack of fine-grained feedback. Furthermore, the model may fail to learn successful trajectories that are not sampled during training, thereby limiting its performance. Conversely, while employing customized dense process rewards provides richer signals and accelerates convergence, these surrogate rewards may exhibit potential misalignment with the ground-truth outcome rewards. This inconsistency can bias the training direction and ultimately degrade the model's final performance. In this work, we propose Reward-Swap Policy Optimization (RSPO), a method designed to leverage the rich information from dense process rewards to facilitate training with outcome rewards. By utilizing a reward-swap mechanism, RSPO ensures the diversity of sampled trajectories while guaranteeing consistency between the optimization objective and the true outcome rewards, thereby elevating the performance ceiling of the model. We conduct extensive experiments on two challenging
agent benchmarks, WebShop and ALFWorld. By applying our method to various reinforcement learning
algorithms, including GRPO, PPO, and GiGPO, we demonstrate that RSPO achieves consistent performance improvements across different baselines and
benchmarks.
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All authors Qiang Liu, Taian Guo, Ruizhi Qiao, Xing Sun
Machine Learning
Hierarchical Scaffolding Enables Human-Like Cognitive Selectivity under Data Scarcity
Juhyoung Park, Jaehyuk Bae, Hyeonbo Yang et al. (+1 more)
Modern machine learning systems demand extensive
datasets for visual recognition. Conversely, humans learn with high efficiency despite severe data limitations, often by acquiring broad categorical structures before refining finer distinctions. Inspired by this contrast, we introduce SCALA (Scaffolded Cognitive Architecture for Learning under limited dAta), a hierarchical learning framework grounded in cognitive psychology that guides models from coarse conceptual structures to fine-grained recognition. Our model exhibits human-like cognitive selectivity by effectively prioritizing task-relevant features while suppressing background distractors, a mechanism that induces a fundamental shift in representation learning. This shift is characterized by accelerated cluster formation, reduced intra-class dispersion, and enhanced semantic separability. Empirically, SCALA achieves significant accuracy improvements under severe data scarcity. Furthermore, this hierarchical scaffolding promotes robust generalization to unseen classes and accelerates the acquisition of novel categories. Collectively, our results establish SCALA as a powerful framework for achieving human-level sample efficiency and resilient category generalization in data-constrained environments.
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All authors Juhyoung Park, Jaehyuk Bae, Hyeonbo Yang, Se-Bum Paik
Machine Learning
F-ACVAE: A Federated Adaptive Conditional Variational Auto-Encoder for Privacy-Preserving Intrusion Detection in IoT Networks
Mohammad Ansarimehr, Somayeh Changiz, Ehsan Baghishani et al. (+1 more)
The rapid proliferation of Internet of things (IoT) devices has significantly expanded the cyber-attack surface, necessitating robust and
privacy-preserving intrusion detection systems (IDS). However, centralized learning approaches often suffer from severe performance degradation due to high-dimensional traffic data, extreme class imbalance, and highly non-independent and identically distributed (non-IID) data across heterogeneous edge devices. To address these challenges, this paper proposes F-ACVAE, a
federated adaptive conditional variational autoencoder framework that enables collaborative model training across distributed IoT devices without sharing raw data. F-ACVAE incorporates selective parameter aggregation, where local encoders remain private while globally shared components are synchronized to preserve discriminative latent structures. To further enhance stability under extreme non-IID settings and feature distribution shifts, we introduce a novel constrained momentum Gaussian aggregation (CMGA) strategy that combines update clamping with momentum-based smoothing to mitigate client drift. Extensive experiments on the N-BaIoT
dataset demonstrate that F-ACVAE achieves an average accuracy and macro F1-score of 99%, outperforming state-of-the-art baselines. Moreover, the selective aggregation mechanism reduces communication overhead by approximately 62%, making the framework particularly suitable for resource-constrained IoT environments. These results highlight the effectiveness of F-ACVAE in achieving high detection performance while ensuring
privacy preservation and communication efficiency.
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All authors Mohammad Ansarimehr, Somayeh Changiz, Ehsan Baghishani, Ali Mousavi
Machine Learning · Cross-listed from cs.CL
PAST-TIDE: Prototype-Anchored Statement Tuning with Topic-Invariant Normalization for Stance Detection
Md. Shakhoyat Rahman Shujon, MD Jahid Hasan Jim, Md. Milon Islam et al. (+2 more)
We introduce PAST-TIDE, our stance detection system addressing both subtasks of the StanceNakba Shared Task at NakbaNLP@LREC-COLING 2026. The main idea is statement tuning. We redefine stance as cloze-style masked
language modeling (MLM), letting a verbalizer map label words to stance categories through the pre-trained MLM head rather than appending a randomly initialized classification head. We complement this with prototypical contrastive learning, which uses learnable class prototypes for batch-size independent contrastive training, and topic-conditional layer normalization for cross-topic Arabic stance detection. PAST-TIDE achieves macro-F1 scores of 0.75 for Subtask A and 0.74 for Subtask B on the official leaderboard, indicating that minimal architectural additions to a pre-trained model can remain competitive in low-resource settings.
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All authors Md. Shakhoyat Rahman Shujon, MD Jahid Hasan Jim, Md. Milon Islam, Md Rezwanul Haque, Fakhri Karray
Machine Learning
URSA: Chemistry-Aware Benchmark for Utilitarian Retrosynthesis Assessment
Bogdan Zagribelnyy, Ivan Ilin, Nikita Bondarev et al. (+7 more)
Synthesis planning aiming to find pathways of reactions for a target molecule is one of the most important and challenging tasks in drug discovery. Recent progress has produced both specialized deep-learning retrosynthesis systems and general-purpose large
language models, but objective comparison remains difficult due to the lack of flexible, chemically interpretable benchmarking protocols. In the current study, we are introducing the URSA (Utilitarian RetroSynthesis Assessment) evaluation framework that provides the opportunity to
benchmark the synthetic routes not only from a formal perspective, such as convergence to commercially available starting materials, but also from a chemical plausibility perspective, mimicking the way expert chemists evaluate the reactions and routes. The study covers a comprehensive evaluation of both conventional end-to-end retrosynthesis solutions and LLMs for the synthesis planning task on a set of novel, diverse target molecules with undisclosed synthetic routes, which represent realistic tasks in the daily drug design routine. We find that while LLMs can support high-level strategic planning, they currently underperform specialized retrosynthesis models in reliably solving synthesis planning tasks.
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All authors Bogdan Zagribelnyy, Ivan Ilin, Nikita Bondarev, Anton Morgunov, Arkadii Lin, Maksim Kuznetsov, Rim Shayakhmetov, Vladimir Aladinskiy, Alex Aliper, Alex Zhavoronkov